301 citations · 1.5k across the 24 of their papers we have counts for
4 papers · 1 filter
Optimization and parallelization of B-spline based orbital evaluations in QMC on multi/many-core shared memory processors
Amrita Mathuriya, Ye Luo, Anouar Benali +2
B-spline based orbital representations are widely used in Quantum Monte Carlo (QMC) simulations of solids, historically taking as much as 50% of the total run time. Random accesses…
Phase Stability of TiO Polymorphs from Diffusion Quantum Monte Carlo
Ye Luo, Anouar Benali, Luke Shulenburger +3
Titanium dioxide, TiO, has multiple applications in catalysis, energy conversion and memristive devices because of its electronic structure. Most of these applications utilize…
Benchmarking Adiabatic Quantum Optimization for Complex Network Analysis
Ojas Parekh, Jeremy Wendt, Luke Shulenburger +3
We lay the foundation for a benchmarking methodology for assessing current and future quantum computers. We pose and begin addressing fundamental questions about how to fairly comp…
Quantum Monte Carlo analysis of a charge ordered insulating antiferromagnet: the TiO Magnéli phase
Anouar Benali, Luke Shulenburger, Jaron T. Krogel +3
The Magnéli phase TiO is an important transition metal oxide with a wide range of applications because of its interplay between charge, spin, and lattice degrees of freedom…